ID: 10039
SMILES:C(C)(C(OC1C(C)=C2OC(C)(C)C3C2C(=O)C(C)=CC3C=C(C(C)OC(C)=O)C(O)C1)=O)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.594
CB1 binding score: -15.226
InChIKey:MFYJNFCQRPZCQZ-UHFFFAOYSA-N
ID: 10040
SMILES:C(C1=CCC2C(C(C)(C)Oc3cc(CCC)c(O)c(c32)O1)OC)CCC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.323
InChIKey:ZGBKXYZNXJIUTC-UHFFFAOYSA-N
ID: 10041
SMILES:C(CCCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)C(C)CC(O)C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -11.609
InChIKey:FULZCCPPGJKYCN-UHFFFAOYSA-N
ID: 10042
SMILES:CC(OCC1=CC2C(C(C)(C)Oc3c2c(C(C)OC)ccc3C)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.271
InChIKey:VHDQDOVIDSXDHA-UHFFFAOYSA-N
ID: 10043
SMILES:C(C)(CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(C)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.222
InChIKey:VDNDZGJGLJPMDW-UHFFFAOYSA-N
ID: 10044
SMILES:c1(CCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.269
InChIKey:QONZESXNHUEDFU-UHFFFAOYSA-N
ID: 10045
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1c2cccc1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.599
InChIKey:WAOKWVRVPQSVJA-UHFFFAOYSA-N
ID: 10046
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)OC1CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.427
InChIKey:MNAXHPHYRFHIPI-UHFFFAOYSA-N
ID: 10047
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 10048
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N
ID: 10049
SMILES:Oc1c(OC)c(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.998
InChIKey:PHSZCNHUOUDLSX-UHFFFAOYSA-N
ID: 10050
SMILES:C(CCCCC(CC(C)C)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.647
CB1 binding score: -14.724
InChIKey:VXKGJWPOFWBSAS-UHFFFAOYSA-N
ID: 10051
SMILES:c1(OC)c(CCCCC)cc(O)c2c1OC1C3=C(CC=C(C)C)C(C)(C)C(CC4C(C)(C)C(C(C)(O)C)CC4(C3=O)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 594.833
CB1 binding score: -15.138
InChIKey:KYAHENDWUGKPGM-UHFFFAOYSA-N
ID: 10052
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 10053
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 10054
SMILES:C1(O)CC2(C)OC1c1c(c(C(O)=O)c(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.438
CB1 binding score: -16.723
InChIKey:ZTWNRDQKVLJMEK-UHFFFAOYSA-N
ID: 10055
SMILES:C12C3C(C)(C)CCCC1(C(OC)(C)Oc1cc(O)cc(CCCCC)c12)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.929
InChIKey:JEPBYFIPDRQMDL-UHFFFAOYSA-N
ID: 10056
SMILES:CC1(C)C=Cc2cc(OC)cc(CCCCC)c2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.545
InChIKey:VRXPQYOHNXMNLC-UHFFFAOYSA-N
ID: 10057
SMILES:CC(=CC(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C(O)=O)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.444
CB1 binding score: -14.589
InChIKey:QEOPKOAXWQVJTR-UHFFFAOYSA-N
ID: 10058
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.392
InChIKey:RCCCKQKOMSTGQP-UHFFFAOYSA-N
ID: 10059
SMILES:CC(CCC=C(C)CCC=C(COC(C)=O)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 486.649
CB1 binding score: -14.56
InChIKey:PLMNLWGYIJHNGQ-UHFFFAOYSA-N